4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-[(3R)-1-hydroxy-4-methylpentan-3-yl]benzamide

C18H24FN3O2 — CID 96540104

IUPAC4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-[(3R)-1-hydroxy-4-methylpentan-3-yl]benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)N[C@H](CCO)C(C)C)cc2F)n1
InChIInChI=1S/C18H24FN3O2/c1-11(2)16(7-8-23)20-18(24)14-5-6-17(15(19)10-14)22-13(4)9-12(3)21-22/h5-6,9-11,16,23H,7-8H2,1-4H3,(H,20,24)/t16-/m1/s1
InChIKeyJIFZXVUGZZGVIQ-MRXNPFEDSA-N
MW333.41 g/mol
LogP2.77
Rot. Bonds6

About 4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-[(3R)-1-hydroxy-4-methylpentan-3-yl]benzamide

4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-[(3R)-1-hydroxy-4-methylpentan-3-yl]benzamide (PubChem CID 96540104) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-[(3R)-1-hydroxy-4-methylpentan-3-yl]benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-[(3R)-1-hydroxy-4-methylpentan-3-yl]benzamide
PubChem CID96540104
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-[(3R)-1-hydroxy-4-methylpentan-3-yl]benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)N[C@H](CCO)C(C)C)cc2F)n1
InChIInChI=1S/C18H24FN3O2/c1-11(2)16(7-8-23)20-18(24)14-5-6-17(15(19)10-14)22-13(4)9-12(3)21-22/h5-6,9-11,16,23H,7-8H2,1-4H3,(H,20,24)/t16-/m1/s1
InChIKeyJIFZXVUGZZGVIQ-MRXNPFEDSA-N
XLogP2.77
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminobutyl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide
CID 119499692
2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]-4-methylpentanoic acid
CID 119188115
3,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 113254979
2-cyclopropyl-2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]acetic acid
CID 119213295
N-(2-amino-2-methylpropyl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide
CID 119630697
3-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249379
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide;hydrochloride
CID 119600348
(2S)-2-cyano-3-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-N-methyl-3-oxopropanamide
CID 98360581
1-(3-fluorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)-5-methylpyrazole-3-carboxamide
CID 110000140
4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]benzamide
CID 86939357
4-(3,5-dimethylpyrazol-1-yl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide
CID 99122333
3-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]-ethylamino]propanoic acid
CID 119191017

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-[(3R)-1-hydroxy-4-methylpentan-3-yl]benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-[(3R)-1-hydroxy-4-methylpentan-3-yl]benzamide (CID 96540104) is 4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-[(3R)-1-hydroxy-4-methylpentan-3-yl]benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-[(3R)-1-hydroxy-4-methylpentan-3-yl]benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-[(3R)-1-hydroxy-4-methylpentan-3-yl]benzamide is Cc1cc(C)n(-c2ccc(C(=O)N[C@H](CCO)C(C)C)cc2F)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-[(3R)-1-hydroxy-4-methylpentan-3-yl]benzamide?
The InChIKey is JIFZXVUGZZGVIQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-11(2)16(7-8-23)20-18(24)14-5-6-17(15(19)10-14)22-13(4)9-12(3)21-22/h5-6,9-11,16,23H,7-8H2,1-4H3,(H,20,24)/t16-/m1/s1.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-[(3R)-1-hydroxy-4-methylpentan-3-yl]benzamide?
4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-[(3R)-1-hydroxy-4-methylpentan-3-yl]benzamide has a molecular weight of 333.41 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-[(3R)-1-hydroxy-4-methylpentan-3-yl]benzamide is sourced from PubChem (CID 96540104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).